CID 13492185

2-fluoro-3-methylbut-2-en-1-ol

Structural Information

Molecular Formula
C5H9FO
SMILES
CC(=C(CO)F)C
InChI
InChI=1S/C5H9FO/c1-4(2)5(6)3-7/h7H,3H2,1-2H3
InChIKey
JPTSQZOXYWIQIW-UHFFFAOYSA-N
Compound name
2-fluoro-3-methylbut-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

104.06374 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.071016 119.5
[M+Na]+ 127.052958 126.7
[M-H]- 103.056464 117.4
[M+NH4]+ 122.097563 142.0
[M+K]+ 143.026898 126.2
[M+H-H2O]+ 87.061000 114.9
[M+HCOO]- 149.061941 139.5
[M+CH3COO]- 163.077591 166.3
[M+Na-2H]- 125.038406 123.6
[M]+ 104.06319142 116.6
[M]- 104.06428858 116.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe